Information card for entry 2229342

Structure parameters

• Chemical name: Dimethyl 2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: O=C(OC)C1(Nc2c(C(=C1)C(=O)OC)cccc2)C
• Title of publication: Dimethyl 2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o672 - o673
• a: 7.9917 ± 0.0012 Å
• b: 8.8886 ± 0.0011 Å
• c: 18.9855 ± 0.0018 Å
• α: 90°
• β: 99.194 ± 0.009°
• γ: 90°
• Cell volume: 1331.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes